COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.492  -3.717   1.265  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.322  -4.633   0.896  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.112  -4.107   1.445  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.204  -4.706  -0.630  1.00  0.00           C  
HETATM    5  O   UNL     1      -2.161  -5.616  -0.985  1.00  0.00           O  
HETATM    6  C   UNL     1      -4.533  -5.197  -1.211  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.799  -6.520  -0.743  1.00  0.00           O  
HETATM    8  C   UNL     1      -5.656  -4.259  -0.760  1.00  0.00           C  
HETATM    9  O   UNL     1      -8.027  -3.842  -0.966  1.00  0.00           O  
HETATM   10  C   UNL     1      -6.996  -4.777  -1.288  1.00  0.00           C  
HETATM   11  O   UNL     1      -5.691  -4.213   0.668  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.214  -2.302   0.753  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.323  -1.360   1.228  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.045   0.054   0.716  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.215   0.969   1.085  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.473   0.511   0.345  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.643   1.425   0.714  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.927   0.894   0.074  1.00  0.00           C  
HETATM   19  C   UNL     1     -11.097   1.809   0.442  1.00  0.00           C  
HETATM   20  C   UNL     1     -12.381   1.278  -0.198  1.00  0.00           C  
HETATM   21  C   UNL     1     -13.551   2.192   0.171  1.00  0.00           C  
HETATM   22  C   UNL     1     -14.835   1.661  -0.469  1.00  0.00           C  
HETATM   23  C   UNL     1     -16.005   2.576  -0.101  1.00  0.00           C  
HETATM   24  C   UNL     1     -17.289   2.045  -0.741  1.00  0.00           C  
HETATM   25  C   UNL     1     -18.459   2.959  -0.372  1.00  0.00           C  
HETATM   26  C   UNL     1     -19.743   2.428  -1.012  1.00  0.00           C  
HETATM   27  C   UNL     1     -20.913   3.343  -0.644  1.00  0.00           C  
HETATM   28  C   UNL     1     -22.197   2.812  -1.284  1.00  0.00           C  
HETATM   29  C   UNL     1     -23.367   3.726  -0.915  1.00  0.00           C  
HETATM   30  C   UNL     1     -24.651   3.195  -1.555  1.00  0.00           C  
HETATM   31  O   UNL     1      -6.442   0.908   2.494  1.00  0.00           O  
HETATM   32  O   UNL     1      -7.247   0.572  -1.064  1.00  0.00           O  
HETATM   33  N   UNL     1      -3.816   0.563   1.329  1.00  0.00           N  
HETATM   34  C   UNL     1      -2.619   0.269   0.783  1.00  0.00           C  
HETATM   35  O   UNL     1      -2.560  -0.416  -0.216  1.00  0.00           O  
HETATM   36  C   UNL     1      -1.354   0.793   1.413  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.146   0.318   0.603  1.00  0.00           C  
HETATM   38  C   UNL     1       1.138   0.849   1.243  1.00  0.00           C  
HETATM   39  C   UNL     1       2.346   0.374   0.433  1.00  0.00           C  
HETATM   40  C   UNL     1       3.630   0.905   1.073  1.00  0.00           C  
HETATM   41  C   UNL     1       4.838   0.430   0.263  1.00  0.00           C  
HETATM   42  C   UNL     1       6.122   0.961   0.903  1.00  0.00           C  
HETATM   43  C   UNL     1       7.330   0.487   0.093  1.00  0.00           C  
HETATM   44  C   UNL     1       8.614   1.018   0.733  1.00  0.00           C  
HETATM   45  C   UNL     1       9.822   0.543  -0.077  1.00  0.00           C  
HETATM   46  C   UNL     1      11.106   1.074   0.563  1.00  0.00           C  
HETATM   47  C   UNL     1      12.314   0.599  -0.248  1.00  0.00           C  
HETATM   48  C   UNL     1      13.598   1.130   0.393  1.00  0.00           C  
HETATM   49  C   UNL     1      14.806   0.655  -0.418  1.00  0.00           C  
HETATM   50  C   UNL     1      16.090   1.187   0.222  1.00  0.00           C  
HETATM   51  C   UNL     1      17.298   0.712  -0.588  1.00  0.00           C  
HETATM   52  C   UNL     1      18.582   1.243   0.052  1.00  0.00           C  
HETATM   53  C   UNL     1      19.790   0.768  -0.758  1.00  0.00           C  
HETATM   54  C   UNL     1      21.074   1.299  -0.118  1.00  0.00           C  
HETATM   55  C   UNL     1      22.282   0.825  -0.928  1.00  0.00           C  
HETATM   56  C   UNL     1      23.566   1.356  -0.288  1.00  0.00           C  
HETATM   57  C   UNL     1      24.774   0.881  -1.098  1.00  0.00           C  
HETATM   58  C   UNL     1      26.059   1.412  -0.458  1.00  0.00           C  
HETATM   59  C   UNL     1      27.266   0.937  -1.268  1.00  0.00           C  
HETATM   60  C   UNL     1      28.551   1.468  -0.628  1.00  0.00           C  
HETATM   61  H   UNL     1      -4.608  -3.694   2.349  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.501  -5.631   1.295  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.329  -4.639   1.250  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.976  -3.716  -1.026  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.030  -5.712  -1.938  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.475  -5.200  -2.300  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.628  -6.895  -1.073  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.473  -3.258  -1.152  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.906  -4.106  -1.271  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.938  -4.897  -2.369  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.220  -5.738  -0.826  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.255  -1.957   1.139  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.186  -2.309  -0.337  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.282  -1.705   0.842  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.351  -1.353   2.318  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.929   0.032  -0.368  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.978   1.994   0.799  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.710  -0.515   0.631  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.759   1.447   1.797  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.445   2.433   0.349  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.811   0.872  -1.010  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.125  -0.114   0.439  1.00  0.00           H  
HETATM   83  H   UNL     1     -11.213   1.831   1.526  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.899   2.817   0.077  1.00  0.00           H  
HETATM   85  H   UNL     1     -12.265   1.255  -1.281  1.00  0.00           H  
HETATM   86  H   UNL     1     -12.579   0.270   0.167  1.00  0.00           H  
HETATM   87  H   UNL     1     -13.667   2.214   1.254  1.00  0.00           H  
HETATM   88  H   UNL     1     -13.353   3.200  -0.194  1.00  0.00           H  
HETATM   89  H   UNL     1     -14.719   1.639  -1.553  1.00  0.00           H  
HETATM   90  H   UNL     1     -15.033   0.653  -0.104  1.00  0.00           H  
HETATM   91  H   UNL     1     -16.121   2.598   0.983  1.00  0.00           H  
HETATM   92  H   UNL     1     -15.807   3.584  -0.466  1.00  0.00           H  
HETATM   93  H   UNL     1     -17.173   2.022  -1.824  1.00  0.00           H  
HETATM   94  H   UNL     1     -17.487   1.037  -0.376  1.00  0.00           H  
HETATM   95  H   UNL     1     -18.575   2.982   0.711  1.00  0.00           H  
HETATM   96  H   UNL     1     -18.261   3.967  -0.737  1.00  0.00           H  
HETATM   97  H   UNL     1     -19.626   2.406  -2.096  1.00  0.00           H  
HETATM   98  H   UNL     1     -19.941   1.420  -0.647  1.00  0.00           H  
HETATM   99  H   UNL     1     -21.029   3.365   0.440  1.00  0.00           H  
HETATM  100  H   UNL     1     -20.715   4.351  -1.008  1.00  0.00           H  
HETATM  101  H   UNL     1     -22.080   2.789  -2.367  1.00  0.00           H  
HETATM  102  H   UNL     1     -22.395   1.804  -0.919  1.00  0.00           H  
HETATM  103  H   UNL     1     -23.483   3.749   0.169  1.00  0.00           H  
HETATM  104  H   UNL     1     -23.169   4.734  -1.280  1.00  0.00           H  
HETATM  105  H   UNL     1     -24.848   2.187  -1.190  1.00  0.00           H  
HETATM  106  H   UNL     1     -25.484   3.847  -1.293  1.00  0.00           H  
HETATM  107  H   UNL     1     -24.534   3.173  -2.639  1.00  0.00           H  
HETATM  108  H   UNL     1      -6.658   0.023   2.820  1.00  0.00           H  
HETATM  109  H   UNL     1      -7.031   1.456  -1.390  1.00  0.00           H  
HETATM  110  H   UNL     1      -3.863   1.111   2.128  1.00  0.00           H  
HETATM  111  H   UNL     1      -1.378   1.882   1.425  1.00  0.00           H  
HETATM  112  H   UNL     1      -1.276   0.419   2.434  1.00  0.00           H  
HETATM  113  H   UNL     1      -0.122  -0.772   0.591  1.00  0.00           H  
HETATM  114  H   UNL     1      -0.224   0.691  -0.418  1.00  0.00           H  
HETATM  115  H   UNL     1       1.114   1.939   1.255  1.00  0.00           H  
HETATM  116  H   UNL     1       1.216   0.476   2.264  1.00  0.00           H  
HETATM  117  H   UNL     1       2.370  -0.716   0.421  1.00  0.00           H  
HETATM  118  H   UNL     1       2.268   0.747  -0.588  1.00  0.00           H  
HETATM  119  H   UNL     1       3.606   1.995   1.085  1.00  0.00           H  
HETATM  120  H   UNL     1       3.708   0.532   2.094  1.00  0.00           H  
HETATM  121  H   UNL     1       4.862  -0.659   0.251  1.00  0.00           H  
HETATM  122  H   UNL     1       4.760   0.803  -0.758  1.00  0.00           H  
HETATM  123  H   UNL     1       6.098   2.051   0.915  1.00  0.00           H  
HETATM  124  H   UNL     1       6.200   0.589   1.924  1.00  0.00           H  
HETATM  125  H   UNL     1       7.354  -0.603   0.081  1.00  0.00           H  
HETATM  126  H   UNL     1       7.252   0.859  -0.929  1.00  0.00           H  
HETATM  127  H   UNL     1       8.590   2.107   0.745  1.00  0.00           H  
HETATM  128  H   UNL     1       8.692   0.645   1.754  1.00  0.00           H  
HETATM  129  H   UNL     1       9.846  -0.547  -0.089  1.00  0.00           H  
HETATM  130  H   UNL     1       9.744   0.916  -1.099  1.00  0.00           H  
HETATM  131  H   UNL     1      11.082   2.164   0.575  1.00  0.00           H  
HETATM  132  H   UNL     1      11.184   0.701   1.584  1.00  0.00           H  
HETATM  133  H   UNL     1      12.338  -0.491  -0.259  1.00  0.00           H  
HETATM  134  H   UNL     1      12.236   0.972  -1.269  1.00  0.00           H  
HETATM  135  H   UNL     1      13.575   2.220   0.405  1.00  0.00           H  
HETATM  136  H   UNL     1      13.676   0.757   1.414  1.00  0.00           H  
HETATM  137  H   UNL     1      14.830  -0.434  -0.430  1.00  0.00           H  
HETATM  138  H   UNL     1      14.728   1.028  -1.439  1.00  0.00           H  
HETATM  139  H   UNL     1      16.066   2.276   0.234  1.00  0.00           H  
HETATM  140  H   UNL     1      16.168   0.814   1.244  1.00  0.00           H  
HETATM  141  H   UNL     1      17.322  -0.378  -0.600  1.00  0.00           H  
HETATM  142  H   UNL     1      17.220   1.085  -1.609  1.00  0.00           H  
HETATM  143  H   UNL     1      18.559   2.333   0.064  1.00  0.00           H  
HETATM  144  H   UNL     1      18.660   0.870   1.074  1.00  0.00           H  
HETATM  145  H   UNL     1      19.814  -0.322  -0.770  1.00  0.00           H  
HETATM  146  H   UNL     1      19.712   1.141  -1.779  1.00  0.00           H  
HETATM  147  H   UNL     1      21.051   2.389  -0.106  1.00  0.00           H  
HETATM  148  H   UNL     1      21.153   0.927   0.904  1.00  0.00           H  
HETATM  149  H   UNL     1      22.306  -0.265  -0.940  1.00  0.00           H  
HETATM  150  H   UNL     1      22.204   1.197  -1.949  1.00  0.00           H  
HETATM  151  H   UNL     1      23.543   2.445  -0.276  1.00  0.00           H  
HETATM  152  H   UNL     1      23.645   0.983   0.733  1.00  0.00           H  
HETATM  153  H   UNL     1      24.798  -0.209  -1.110  1.00  0.00           H  
HETATM  154  H   UNL     1      24.696   1.254  -2.119  1.00  0.00           H  
HETATM  155  H   UNL     1      26.035   2.502  -0.446  1.00  0.00           H  
HETATM  156  H   UNL     1      26.137   1.039   0.563  1.00  0.00           H  
HETATM  157  H   UNL     1      27.290  -0.153  -1.280  1.00  0.00           H  
HETATM  158  H   UNL     1      27.188   1.310  -2.289  1.00  0.00           H  
HETATM  159  H   UNL     1      28.527   2.558  -0.616  1.00  0.00           H  
HETATM  160  H   UNL     1      28.629   1.095   0.393  1.00  0.00           H  
HETATM  161  H   UNL     1      29.411   1.130  -1.205  1.00  0.00           H  
CONECT    1    2   12   11   61                                       
CONECT    2    1    3    4   62                                       
CONECT    3    2   63                                                 
CONECT    4    2    5    6   64                                       
CONECT    5    4   65                                                 
CONECT    6    4    7    8   66                                       
CONECT    7    6   67                                                 
CONECT    8    6   11   10   68                                       
CONECT    9   10   69                                                 
CONECT   10    8    9   70   71                                       
CONECT   11    1    8                                                 
CONECT   12    1   13   72   73                                       
CONECT   13   12   14   74   75                                       
CONECT   14   13   15   33   76                                       
CONECT   15   14   16   31   77                                       
CONECT   16   15   32   17   78                                       
CONECT   17   16   18   79   80                                       
CONECT   18   17   19   81   82                                       
CONECT   19   18   20   83   84                                       
CONECT   20   19   21   85   86                                       
CONECT   21   20   22   87   88                                       
CONECT   22   21   23   89   90                                       
CONECT   23   22   24   91   92                                       
CONECT   24   23   25   93   94                                       
CONECT   25   24   26   95   96                                       
CONECT   26   25   27   97   98                                       
CONECT   27   26   28   99  100                                       
CONECT   28   27   29  101  102                                       
CONECT   29   28   30  103  104                                       
CONECT   30   29  105  106  107                                       
CONECT   31   15  108                                                 
CONECT   32   16  109                                                 
CONECT   33   14   34  110                                            
CONECT   34   33   36   35   35                                       
CONECT   35   34   34                                                 
CONECT   36   34   37  111  112                                       
CONECT   37   36   38  113  114                                       
CONECT   38   37   39  115  116                                       
CONECT   39   38   40  117  118                                       
CONECT   40   39   41  119  120                                       
CONECT   41   40   42  121  122                                       
CONECT   42   41   43  123  124                                       
CONECT   43   42   44  125  126                                       
CONECT   44   43   45  127  128                                       
CONECT   45   44   46  129  130                                       
CONECT   46   45   47  131  132                                       
CONECT   47   46   48  133  134                                       
CONECT   48   47   49  135  136                                       
CONECT   49   48   50  137  138                                       
CONECT   50   49   51  139  140                                       
CONECT   51   50   52  141  142                                       
CONECT   52   51   53  143  144                                       
CONECT   53   52   54  145  146                                       
CONECT   54   53   55  147  148                                       
CONECT   55   54   56  149  150                                       
CONECT   56   55   57  151  152                                       
CONECT   57   56   58  153  154                                       
CONECT   58   57   59  155  156                                       
CONECT   59   58   60  157  158                                       
CONECT   60   59  159  160  161                                       
CONECT   61    1                                                      
CONECT   62    2                                                      
CONECT   63    3                                                      
CONECT   64    4                                                      
CONECT   65    5                                                      
CONECT   66    6                                                      
CONECT   67    7                                                      
CONECT   68    8                                                      
CONECT   69    9                                                      
CONECT   70   10                                                      
CONECT   71   10                                                      
CONECT   72   12                                                      
CONECT   73   12                                                      
CONECT   74   13                                                      
CONECT   75   13                                                      
CONECT   76   14                                                      
CONECT   77   15                                                      
CONECT   78   16                                                      
CONECT   79   17                                                      
CONECT   80   17                                                      
CONECT   81   18                                                      
CONECT   82   18                                                      
CONECT   83   19                                                      
CONECT   84   19                                                      
CONECT   85   20                                                      
CONECT   86   20                                                      
CONECT   87   21                                                      
CONECT   88   21                                                      
CONECT   89   22                                                      
CONECT   90   22                                                      
CONECT   91   23                                                      
CONECT   92   23                                                      
CONECT   93   24                                                      
CONECT   94   24                                                      
CONECT   95   25                                                      
CONECT   96   25                                                      
CONECT   97   26                                                      
CONECT   98   26                                                      
CONECT   99   27                                                      
CONECT  100   27                                                      
CONECT  101   28                                                      
CONECT  102   28                                                      
CONECT  103   29                                                      
CONECT  104   29                                                      
CONECT  105   30                                                      
CONECT  106   30                                                      
CONECT  107   30                                                      
CONECT  108   31                                                      
CONECT  109   32                                                      
CONECT  110   33                                                      
CONECT  111   36                                                      
CONECT  112   36                                                      
CONECT  113   37                                                      
CONECT  114   37                                                      
CONECT  115   38                                                      
CONECT  116   38                                                      
CONECT  117   39                                                      
CONECT  118   39                                                      
CONECT  119   40                                                      
CONECT  120   40                                                      
CONECT  121   41                                                      
CONECT  122   41                                                      
CONECT  123   42                                                      
CONECT  124   42                                                      
CONECT  125   43                                                      
CONECT  126   43                                                      
CONECT  127   44                                                      
CONECT  128   44                                                      
CONECT  129   45                                                      
CONECT  130   45                                                      
CONECT  131   46                                                      
CONECT  132   46                                                      
CONECT  133   47                                                      
CONECT  134   47                                                      
CONECT  135   48                                                      
CONECT  136   48                                                      
CONECT  137   49                                                      
CONECT  138   49                                                      
CONECT  139   50                                                      
CONECT  140   50                                                      
CONECT  141   51                                                      
CONECT  142   51                                                      
CONECT  143   52                                                      
CONECT  144   52                                                      
CONECT  145   53                                                      
CONECT  146   53                                                      
CONECT  147   54                                                      
CONECT  148   54                                                      
CONECT  149   55                                                      
CONECT  150   55                                                      
CONECT  151   56                                                      
CONECT  152   56                                                      
CONECT  153   57                                                      
CONECT  154   57                                                      
CONECT  155   58                                                      
CONECT  156   58                                                      
CONECT  157   59                                                      
CONECT  158   59                                                      
CONECT  159   60                                                      
CONECT  160   60                                                      
CONECT  161   60                                                      
MASTER        0    0    0    0    0    0    0    0  161    0  161    0
END
